SCHEMBL358657

SCHEMBL358657

Cc1c2cccc(C(=O)NN(C)C)c2nn1C1(C)CCNC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.34
PARP2 Q9UGN5 2/20 0.34
KMT2A Q03164 1/20 0.30
CYP2D6 P10635 1/20 0.30
SYK P43405 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10172410 0.94 PARP1 (0.32) PARP1PARP2
SCHEMBL360327 0.94 PARP1 (0.34) PARP1PARP2
SCHEMBL12503367 0.85 PARP1 (0.37) PARP1PARP2CYP2D6
SCHEMBL359582 0.84 PARP1 (0.48) PARP1PARP2
SCHEMBL10173013 0.81 RAD52 (0.43) PARP1
SCHEMBL358818 0.80 RAD52 (0.46) PARP1
SCHEMBL12503399 0.78 PARP1 (0.37) PARP1PARP2
SCHEMBL10172411 0.78 PARP1 (0.46) PARP1PARP2
SCHEMBL359165 0.77 PARP1 (0.49) PARP1PARP2
SCHEMBL27917165 0.74 PABPC1 (0.31)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012006958-A1 AMIDS SUBSTITUTED INDAZOLE DERIVATIVEES AS PLOY(ADP-RIBOSE)POLYMERASE INHIBITORS ZHEJIANG BETA PHARMA INC. (CN) 2012-01-19 WO claimed
WO-2012006958-A1 AMIDS SUBSTITUTED INDAZOLE DERIVATIVEES AS PLOY(ADP-RIBOSE)POLYMERASE INHIBITORS ZHEJIANG BETA PHARMA INC. (CN) 2012-01-19 WO disclosed